2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

C16H20N4O2 — CID 135465183

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1N1CCN(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C16H20N4O2/c1-12-11-15(21)18-16(17-12)20-9-7-19(8-10-20)13-5-3-4-6-14(13)22-2/h3-6,11H,7-10H2,1-2H3,(H,17,18,21)
InChIKeyQGVCCIDDXWPKKE-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.41
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135465183) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135465183
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1N1CCN(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C16H20N4O2/c1-12-11-15(21)18-16(17-12)20-9-7-19(8-10-20)13-5-3-4-6-14(13)22-2/h3-6,11H,7-10H2,1-2H3,(H,17,18,21)
InChIKeyQGVCCIDDXWPKKE-UHFFFAOYSA-N
XLogP1.41
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135644971
4-(3-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135762492
5-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135762505
2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135536917
tert-butyl 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate
CID 137307991
5-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135644716
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
CID 155800473
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9335378
1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 12596963
2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 136923002
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42682738
2-[(2-methoxyphenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135816304

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 135465183) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is COc1ccccc1N1CCN(c2nc(C)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QGVCCIDDXWPKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-11-15(21)18-16(17-12)20-9-7-19(8-10-20)13-5-3-4-6-14(13)22-2/h3-6,11H,7-10H2,1-2H3,(H,17,18,21).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 300.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135465183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).